2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[[(1S)-1-(o-tolyl)ethyl]amino]benzonitrile CAS Name: 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[[(1S)-1-(o-tolyl)ethyl]amino]benzonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H15N3O2/c1-11-5-3-4-6-15(11)12(2)18-16-8-7-14(19(20)21)9-13(16)10-17/h3-9,12,18H,1-2H3/t12-/m0/s1